SCHEMBL3460049

SCHEMBL3460049

Nc1ncc(-c2cccc(CNC(=O)Nc3ccc4c(c3)OCO4)c2)nc1C(=O)N[C@H]1CCCNC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.50
ATR Q13535 3/20 0.46
TYRO3 Q06418 5/20 0.46
GSK3B P49841 1/20 0.45
ROCK2 O75116 2/20 0.42
PKN2 Q16513 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.41
MCHR1 Q99705 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
ACVR1 Q04771 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3462542 0.96 ATR (0.46) CHRM3ATRTYRO3GSK3BROCK2
SCHEMBL3460447 0.89 ATR (0.54) ATRTYRO3ROCK2PKN2ACVR1
SCHEMBL3462301 0.88 ATR (0.50) ATRTYRO3ROCK2PKN2
SCHEMBL3461263 0.88 ATR (0.50) ATRTYRO3ROCK2PKN2ACVR1
SCHEMBL3460703 0.87 AURKA (0.50) CHRM3ATRTYRO3TSHRMEN1
SCHEMBL3460471 0.86 ATR (0.48) ATRTYRO3ROCK2PKN2ACVR1
SCHEMBL3460302 0.86 ATR (0.48) ATRTYRO3ROCK2PKN2
SCHEMBL3461922 0.86 ATR (0.48) ATRTYRO3ROCK2PKN2
SCHEMBL1793391 0.85 ATR (0.44) ATRTYRO3ROCK2PKN2
SCHEMBL14219526 0.85 TYRO3 (0.46) ATRTYRO3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US claimed
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 CHRM3 2950/4885ATR 556/4885TYRO3 790/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.